CID 89661495

2287340-98-9

Structural Information

Molecular Formula
C8H8N2O
SMILES
CC1=C2CNC(=O)C2=NC=C1
InChI
InChI=1S/C8H8N2O/c1-5-2-3-9-7-6(5)4-10-8(7)11/h2-3H,4H2,1H3,(H,10,11)
InChIKey
HXJSAINNIPKPEE-UHFFFAOYSA-N
Compound name
4-methyl-5,6-dihydropyrrolo[3,4-b]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

148.06366 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.070936 128.7
[M+Na]+ 171.052878 138.7
[M-H]- 147.056384 129.7
[M+NH4]+ 166.097483 149.9
[M+K]+ 187.026818 135.4
[M+H-H2O]+ 131.060920 122.4
[M+HCOO]- 193.061861 149.1
[M+CH3COO]- 207.077511 142.4
[M+Na-2H]- 169.038326 135.1
[M]+ 148.06311142 127.0
[M]- 148.06420858 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe